Search found 3 matches

by ranjana1
Tue Sep 19, 2023 1:01 pm
Forum: General forum
Topic: error dot indexing
Replies: 3
Views: 7186

error dot indexing

Hello, I am trying to use esfit feature of EasySpIn in my spectra simulation. When I tried to entry variable feature in following way, Vary.A = [1 3 2] it constantly gives me this error: 'Unable to perform assignment because dot indexing is not supported for variables of this type' What would be the...
by ranjana1
Tue Jan 31, 2023 4:49 pm
Forum: General forum
Topic: A-tensor assignment of computed value
Replies: 1
Views: 1879

A-tensor assignment of computed value

Dear users, I have run EPR parameter calculation b using ORCA which is rhombic in nature. On the output file, I am not very sure to assign which is Axx, Ayy and Azz values on the table below among -451.6, -488.39 and -606.75. I try to find from manual but unable to so. Would any one mind to o tell m...
by ranjana1
Sat Oct 29, 2022 11:03 am
Forum: General forum
Topic: Simulation of Time Resolved EPR data
Replies: 1
Views: 1580

Simulation of Time Resolved EPR data

Dear all, I have one data collected for my complex using Time Resolved EPR technique. I looked in the EASY SPIN documentation I did not see the method to employ to simulate TR-EPR Data. So I am wondering, Can I use Easy spin to simulate TR-EPR data? I will appreciate your information and input in th...